Materials Data on GdCd3 by Materials Project

doi:10.17188/1197368

Title: Materials Data on GdCd3 by Materials Project

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Abstract

Cd3Gd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to twelve Cd atoms to form GdCd12 cuboctahedra that share corners with six equivalent GdCd12 cuboctahedra, corners with twelve equivalent CdGd4Cd8 cuboctahedra, edges with eighteen CdGd4Cd8 cuboctahedra, faces with eight equivalent GdCd12 cuboctahedra, and faces with twelve CdGd4Cd8 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.33 Å) Gd–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Gd and eight Cd atoms to form distorted CdGd4Cd8 cuboctahedra that share corners with four equivalent GdCd12 cuboctahedra, corners with fourteen equivalent CdGd4Cd8 cuboctahedra, edges with six equivalent GdCd12 cuboctahedra, edges with twelve CdGd4Cd8 cuboctahedra, faces with four equivalent GdCd12 cuboctahedra, and faces with sixteen CdGd4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.13–3.42 Å. In the second Cd site, Cd is bonded to four equivalent Gd and eight equivalent Cd atoms to form distorted CdGd4Cd8 cuboctahedra that share corners with four equivalent GdCd12 cuboctahedra, corners with fourteen CdGd4Cd8 cuboctahedra, edges with six equivalent GdCd12 cuboctahedra, edges with twelve equivalent CdGd4Cd8 cuboctahedra, faces with four equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-22138

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; GdCd3; Cd-Gd

OSTI Identifier:: 1197368

DOI:: https://doi.org/10.17188/1197368

Citation Formats


                    The Materials Project. Materials Data on GdCd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197368.

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                    The Materials Project. Materials Data on GdCd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197368

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                    The Materials Project. 2020.  
"Materials Data on GdCd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197368.  https://www.osti.gov/servlets/purl/1197368. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1197368,

  title        = {Materials Data on GdCd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd3Gd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded to twelve Cd atoms to form GdCd12 cuboctahedra that share corners with six equivalent GdCd12 cuboctahedra, corners with twelve equivalent CdGd4Cd8 cuboctahedra, edges with eighteen CdGd4Cd8 cuboctahedra, faces with eight equivalent GdCd12 cuboctahedra, and faces with twelve CdGd4Cd8 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.33 Å) Gd–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Gd and eight Cd atoms to form distorted CdGd4Cd8 cuboctahedra that share corners with four equivalent GdCd12 cuboctahedra, corners with fourteen equivalent CdGd4Cd8 cuboctahedra, edges with six equivalent GdCd12 cuboctahedra, edges with twelve CdGd4Cd8 cuboctahedra, faces with four equivalent GdCd12 cuboctahedra, and faces with sixteen CdGd4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.13–3.42 Å. In the second Cd site, Cd is bonded to four equivalent Gd and eight equivalent Cd atoms to form distorted CdGd4Cd8 cuboctahedra that share corners with four equivalent GdCd12 cuboctahedra, corners with fourteen CdGd4Cd8 cuboctahedra, edges with six equivalent GdCd12 cuboctahedra, edges with twelve equivalent CdGd4Cd8 cuboctahedra, faces with four equivalent GdCd12 cuboctahedra, and faces with sixteen CdGd4Cd8 cuboctahedra.},

  doi          = {10.17188/1197368},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1197368

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